![CAS 1820711-82-7 6-Bromo-pyrrolo[3,2-b]pyridine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820711-82-7.gif)
CAS RN: 1820711-82-7
6-Bromo-pyrrolo[3,2-b]pyridine-1-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-082916
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1820711-82-7 / tert-butyl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate
Basic Information
CAS
1820711-82-7
Multi CAS
No
Molecular Formula
C12H13BrN2O2
Molecular Weight
297.150000
Exact Mass
296.016040
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=N2)Br
InChI
InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-5-4-9-10(15)6-8(13)7-14-9/h4-7H,1-3H3
InChIKey
YVNVBORCVHGQRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.07
TPSA
44.12
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3
Consensus LogP
3.25
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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